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1-Methylthiomethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
SpectraBase Compound ID InPhsFB6A9m
InChI InChI=1S/C12H16O4S/c1-11-7-5-3-6-8(7)12(16-11,4-17-2)15-10(6)13-9(5)14-11/h5-10H,3-4H2,1-2H3
InChIKey OWEAFRVRXOAJFI-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BnqX7qu4LZ
Name 1-Methylthiomethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
Alternate Name(s) 1-Methyl-11-[(methylsulfanyl)methyl]-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane Methyl (11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridec-1-yl)methyl sulfide
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Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-11-7-5-3-6-8(7)12(16-11,4-17-2)15-10(6)13-9(5)14-11/h5-10H,3-4H2,1-2H3
InChIKey OWEAFRVRXOAJFI-UHFFFAOYSA-N
Molecular Weight 256.316 g/mol
SMILES C12(C3C4C5CC3C(O1)OC5OC4(O2)C)CSC
SPLASH splash10-0bta-0590000000-9a4b3692e04e288e32bf
Source of Spectrum QA-47-268-13
Wiley ID 863353